3-[(3-fluorophenoxy)methyl]pyridine-2-carbonitrile

C13H9FN2O — CID 10263162

IUPAC3-[(3-fluorophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COc1cccc(F)c1
InChIInChI=1S/C13H9FN2O/c14-11-4-1-5-12(7-11)17-9-10-3-2-6-16-13(10)8-15/h1-7H,9H2
InChIKeyGGFYQQXAJRDCPH-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.67
Rot. Bonds3

About 3-[(3-fluorophenoxy)methyl]pyridine-2-carbonitrile

3-[(3-fluorophenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 10263162) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]pyridine-2-carbonitrile
PubChem CID10263162
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name3-[(3-fluorophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COc1cccc(F)c1
InChIInChI=1S/C13H9FN2O/c14-11-4-1-5-12(7-11)17-9-10-3-2-6-16-13(10)8-15/h1-7H,9H2
InChIKeyGGFYQQXAJRDCPH-UHFFFAOYSA-N
XLogP2.67
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]pyridine-2-carbonitrile (CID 10263162) is 3-[(3-fluorophenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]pyridine-2-carbonitrile is N#Cc1ncccc1COc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is GGFYQQXAJRDCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-11-4-1-5-12(7-11)17-9-10-3-2-6-16-13(10)8-15/h1-7H,9H2.
What are the key properties of 3-[(3-fluorophenoxy)methyl]pyridine-2-carbonitrile?
3-[(3-fluorophenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 228.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 10263162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).